Cucurbitacin A

Molecular Formula: C32H46O9


InChI: InChI=1/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey: InChIKey=IHTCCHVMPGDDSL-IVNGUWCNBT
SMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)O)O

Names:
    Cucurbitacin A
    C08793
    6040-19-3
    [(E,6R)-6-[(2S,8S,9R,10S,13R,14S,16R,17S)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] acetate

Registries:
    PubChem CID 5281315
    PubChem ID 10986